7R5T
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NADH, AND GLYCEROL
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.559, 54.329, 101.795 |
| Unit cell angles | 90.00, 99.97, 90.00 |
Refinement procedure
| Resolution | 61.841 - 1.850 |
| Rwork | 0.182 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rrm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.841 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.056 | 0.273 |
| Number of reflections | 64213 | 3986 |
| <I/σ(I)> | 7.3 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.993 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295.15 | 0.2M Magnesium chloride hexahydrate; 0.1M Bis-Tris, pH 5.5; 25% w/v PEG 3350 |
